| CAS Number | 79249-34-6 |
| Catalog Number | AG0052XI(AGN-PC-0NJZAQ) |
| Chemical Name | 2-Chloro-7-methylquinoline-3-carbonitrile |
| IUPAC Name | 2-chloro-7-methylquinoline-3-carbonitrile |
| InChI | InChI=1S/C11H7ClN2/c1-7-2-3-8-5-9(6-13)11(12)14-10(8)4-7/h2-5H,1H3 |
| InChI Key | DGGQDYSNXXNQQJ-UHFFFAOYSA-N |
| MDL Number | MFCD08437564 |
| Molecular Formula | C11H7ClN2 |
| Molecular Weight | 202.6397 |
| SMILES | N#CC1=CC2=CC=C(C)C=C2N=C1Cl |
| Synonyms | 2-Chloro-7-methylquinoline-3-carbonitrile,
79249-34-6,
AC1Q2N36,
CTK5E6618,
PKCBB_01208,
DTXSID70507576,
QU078,
2-chloro-3-cyano-7-methylquinoline,
MFCD08437564,
ZINC11985164,
AKOS004121285,
AB45101,
FCH1317816,
AJ-60701,
OR307832,
AX8287353,
DB-075570,
FT-0765343,
T6668,
2-Chloro-7-methylquinoline-3-carbonitrile, AldrichCPR,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.641g/mol |
| Monoisotopic Mass | 202.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H318
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number